X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=ctest%2F1L2Y_wham.inp;h=5b763e814ab5e309286d0d234266928ae6f69e9b;hb=8bb1cdb2042196e72a125024b254c96a72d7c7ef;hp=96c2309b85c11b1881ebf31d95893a21976344d0;hpb=9871d519471d253de8e09bc983cb395dc7a95173;p=unres.git diff --git a/ctest/1L2Y_wham.inp b/ctest/1L2Y_wham.inp index 96c2309..5b763e8 100644 --- a/ctest/1L2Y_wham.inp +++ b/ctest/1L2Y_wham.inp @@ -1,4 +1,4 @@ -SEED=-3059743 n_ene=19 isampl=1 nparmset=1 nq=1 einicheck=1 & +SEED=-3059743 isampl=1 nparmset=1 nq=1 einicheck=1 & rescale=2 ensembles=0 nslice=1 delta=0.02 refstr pdbref classify cxfile nres=22 one_letter XNLYIQWLKDGGPSSGRPPPSX